File name: Pandora55s1_QueensNY_20230814_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120727.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230814_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230814 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230814T133930.9Z 8626.569107 225 1 50.74 2 50.80 106.33 30.97 112.03 0.00 1 0.00 1 0 17 3.887e-02 1.349e-02 6.176e-03 2.843e-03 2.078559e-01 1.503507e-03 2.459258e-03 -6.000000e+00 2.340424e-02 231.83 -2.00 3.51 -2.00 316.38 0.00e+00 3.249839e-05 1.763230e-04 3.658877e-05 -6.000000e+00 1.053185e-03 290.27 -2.00 20.00 -2.00 315.55 0.00e+00 1.579 0.000 302.00 328.00 3 5.8544e+00 3.9423e-03 1.9164e-02 -6.0000e+00 5.8517e-02 3.7454e-02 4.3960e-03 1.0794e-02 -6.0000e+00 6.3131e-02 4.2979e-03 2.5255e-03 5.2178e-03 -6.0000e+00 3.7694e-02 -2.7194e-03 1.1574e-03 1.4229e-03 -6.0000e+00 1.5829e-02 2.4535e-04 -8.5133e-04 8.8264e-05 1.8553e-05 -6.0000e+00 1.1616e-03 5.4571e-03 0.0000e+00 12 9 8 11 8 0 99.99 19.56 0.57 0.00546 -0.00094 29 5 1 5 0 1748.600 25.90 20.00 19.56 35.00 36.2 1100.00 -6383 -7687 23940 -13524 6650 915 896 15792 4186 2395 -4079 392 -6191 -12810 7095 266 -8571 -3597 8292 5994 5269 1650 3526 -4489 2048 -2460 9604 -3242 -26 -3371 1072 2021 925 -4682 -2102 5541 -3678 -1666 493 2940 -3286 1688 -3364 -1127 -1843 1376 -2091 940 1286 320 866 -1872 -1171 2854 3547 -130 3271 740 1640 865 715 3112 1096 -520 196 -2472 575 -854 196 1235 -1139 847 1742 -1234 1956 -1139 677 1302 195 -2786 -2217 613 -988 -539 -2553 -477 -1311 -243 -1118 451 -641 -324 -130 729 -238 478 99 333 -18 -423 151 -1075 357 791 909 -563 -23 -664 285 1479 444 -301 294 131 -792 14 -320 1665 -72 42 -1255 -428 898 1356 22 -942 -147 682 348 -522 744 413 652 626 364 -516 181 666 69 -720 -729 -266 -271 -361 -1200 -1594 3843 -2954 1118 152 149 2490 812 500 -911 85 -1494 -3614 1865 81 -2953 -1220 2601 1974 1785 581 1226 -1722 777 -1004 3561 -1304 -10 -1232 377 736 361 -1985 -863 2061 -1502 -737 247 1644 -2123 1108 -2369 -791 -1302 946 -1459 627 837 207 564 -1294 -844 2076 2648 -102 2539 590 1293 680 566 2494 938 -474 183 -2303 493 -703 159 1055 -1068 828 1735 -1249 1881 -1065 579 1031 151 -2299 -1972 575 -1003 -570 -2845 -549 -1592 -304 -1431 570 -796 -381 -142 750 -241 500 110 399 -23 -558 197 -1352 423 914 1073 -703 -30 -892 392 2084 653 -458 447 195 -1128 18 -412 2103 -95 57 -1813 -627 1305 1931 31 -1283 -192 859 438 -681 1006 576 925 899 537 -790 285 1070 112 -1191 -1196 -426 -424 -561 SS 20230814T135537.5Z 8626.580296 232 1 50.28 2 47.90 109.77 28.26 116.81 0.00 1 0.00 1 0 17 8.367e-03 6.492e-03 5.252e-04 3.348e-04 1.950380e-01 1.786723e-04 2.369002e-03 -6.000000e+00 5.042218e-03 231.83 -2.00 3.51 -2.00 315.26 0.00e+00 6.942692e-05 1.655389e-05 3.880080e-05 -6.000000e+00 2.267198e-04 290.27 -2.00 20.00 -2.00 314.53 0.00e+00 1.489 0.000 302.00 328.00 3 2.1273e+00 4.6229e-04 1.8088e-02 -6.0000e+00 1.2607e-02 8.1794e-03 5.1185e-04 1.0206e-02 -6.0000e+00 1.3596e-02 1.8495e-04 2.9210e-04 4.9508e-03 -6.0000e+00 8.1184e-03 -2.3267e-03 1.2835e-04 1.3599e-03 -6.0000e+00 3.4135e-03 1.1582e-02 -2.3832e-04 1.0194e-05 1.9500e-05 -6.0000e+00 2.4994e-04 -1.9263e-03 0.0000e+00 11 8 0 10 0 0 99.98 19.57 0.21 -0.00193 -0.00372 404 76 1 5 0 124.420 26.00 20.01 19.57 35.90 36.5 1100.00 -705 -1734 -2458 -3253 -1463 -169 1097 1321 1157 -588 -182 879 1057 565 563 -316 -568 143 599 638 -153 1063 1081 915 486 161 -535 -759 273 1261 1480 1650 1588 -1009 -608 203 343 426 346 -531 -1374 -1037 -1255 -1127 -935 -801 -1168 -819 -786 314 699 521 866 753 722 473 897 341 632 776 1379 1193 1174 470 -701 -250 -36 388 1246 923 173 -225 -540 -453 -702 -252 89 455 1238 294 60 -742 -1397 -1273 -1013 -1001 -695 -448 -404 -581 -169 227 309 1223 1353 1279 841 791 -329 -553 -380 -487 -27 763 123 -774 -290 -780 -138 -71 -106 -315 -305 -175 -100 530 729 854 685 -11 -573 -382 -192 -338 228 273 541 1318 983 485 525 9 250 141 190 -262 -234 93 -444 -437 -255 -220 -305 11 -205 -522 -768 -987 -426 -45 288 377 368 -189 -59 281 355 212 222 -138 -261 63 272 297 -74 508 518 451 253 83 -278 -404 135 585 679 793 814 -552 -326 104 178 232 211 -363 -1013 -780 -979 -893 -741 -631 -912 -619 -602 233 522 408 683 624 594 399 767 296 543 657 1169 1054 1063 458 -684 -246 -32 340 1068 852 171 -232 -554 -461 -717 -249 82 399 1033 258 56 -743 -1471 -1368 -1102 -1162 -829 -542 -502 -719 -208 268 345 1287 1381 1362 943 940 -401 -707 -480 -601 -32 864 145 -948 -363 -1026 -181 -98 -149 -446 -434 -246 -135 680 909 1050 876 -14 -787 -525 -263 -467 301 355 690 1650 1224 611 677 12 334 193 267 -378 -343 141 -670 -665 -382 -331 -443 16 SS 20230814T140000.1Z 8626.583335 235 1 36.06 2 47.12 110.75 27.54 118.23 0.00 1 0.00 1 0 17 9.424e-03 6.649e-03 1.695e-03 1.085e-03 1.913585e-01 5.797971e-04 2.324969e-03 -6.000000e+00 5.679081e-03 231.83 -2.00 3.51 -2.00 315.23 0.00e+00 -3.508842e-05 5.327392e-05 3.479905e-05 -6.000000e+00 2.553653e-04 290.27 -2.00 20.00 -2.00 314.50 0.00e+00 1.467 0.000 302.00 328.00 3 4.1059e+00 1.5001e-03 1.7800e-02 -6.0000e+00 1.4200e-02 1.7083e-02 1.6611e-03 1.0015e-02 -6.0000e+00 1.5314e-02 3.0723e-03 9.4802e-04 4.8587e-03 -6.0000e+00 9.1440e-03 -2.6548e-03 4.1566e-04 1.3305e-03 -6.0000e+00 3.8443e-03 1.6402e-03 -2.8936e-04 3.3149e-05 1.9281e-05 -6.0000e+00 2.8153e-04 -1.3217e-03 0.0000e+00 12 9 1 12 1 1 99.87 19.62 0.29 -0.00132 -0.00350 31 9 1 5 0 1121.110 26.00 20.03 19.62 36.49 36.4 1100.00 -1699 -1941 -222 -4575 -2331 547 398 2894 1295 -1188 -435 583 446 -1518 1748 -351 -944 423 1430 1071 675 744 1271 -20 359 318 643 -556 302 1098 1470 1847 1500 -1516 -1006 742 -84 -193 384 -380 -1365 -733 -1460 -1387 -971 -413 -1426 -563 -698 144 696 292 248 1119 947 581 1117 409 567 708 1561 1419 1038 167 -427 -463 368 232 1301 949 -141 -26 -444 -666 -565 -270 -48 585 950 34 -83 -515 -1473 -1051 -1377 -902 -917 -379 -532 -492 -31 253 232 1072 1248 1110 648 632 -160 -406 -399 -541 -61 958 226 -482 -284 -843 -7 172 52 -514 -161 -29 -291 245 724 857 654 107 -755 -383 -62 -141 127 224 337 1337 894 321 470 39 356 112 299 -354 -49 301 -419 -597 -212 -336 -299 -3 -488 -600 -69 -1439 -672 145 106 811 399 -391 -144 191 153 -569 696 -152 -423 191 655 504 323 359 611 -10 183 167 340 -290 149 521 692 898 764 -809 -530 375 -43 -107 236 -260 -1011 -565 -1155 -1109 -775 -328 -1130 -436 -531 108 523 226 198 919 798 498 967 358 493 611 1346 1254 956 161 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